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Compile Data Set for Download or QSAR

Found 13 hits with Last Name = 'furness' and Initial = 'ms'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50039029
PNG
((+)-4-((alpha R)-((2S,5R)-4-allyl-2,5-dimethylpipe...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)[C@@H](N1C[C@@H](C)N(CC=C)C[C@@H]1C)c1cccc(OC)c1 |r|
Show InChI InChI=1S/C28H39N3O2/c1-7-17-30-19-22(5)31(20-21(30)4)27(25-11-10-12-26(18-25)33-6)23-13-15-24(16-14-23)28(32)29(8-2)9-3/h7,10-16,18,21-22,27H,1,8-9,17,19-20H2,2-6H3/t21-,22+,27-/m1/s1
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1.5n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibitory activity against Opioid receptor delta 1 in rat brain membranes using [3H]-DADLE as a radioligand.


J Med Chem 43: 3193-6 (2000)


BindingDB Entry DOI: 10.7270/Q21835RR
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50091224
PNG
(4-[(4-But-2-enyl-2,5-dimethyl-piperazin-1-yl)-(3-m...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1C[C@@H](C)N(C\C=C\C)C[C@@H]1C)c1cccc(OC)c1
Show InChI InChI=1S/C29H41N3O2/c1-7-10-18-31-20-23(5)32(21-22(31)4)28(26-12-11-13-27(19-26)34-6)24-14-16-25(17-15-24)29(33)30(8-2)9-3/h7,10-17,19,22-23,28H,8-9,18,20-21H2,1-6H3/b10-7+/t22-,23+,28?/m1/s1
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1.90n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DADLE binding to rat brain membrane Opioid receptor delta 1


J Med Chem 43: 3193-6 (2000)


BindingDB Entry DOI: 10.7270/Q21835RR
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50091221
PNG
(4-[(4-Butyl-2,5-dimethyl-piperazin-1-yl)-(3-methox...)
Show SMILES CCCCN1C[C@H](C)N(C[C@H]1C)C(c1ccc(cc1)C(=O)N(CC)CC)c1cccc(OC)c1
Show InChI InChI=1S/C29H43N3O2/c1-7-10-18-31-20-23(5)32(21-22(31)4)28(26-12-11-13-27(19-26)34-6)24-14-16-25(17-15-24)29(33)30(8-2)9-3/h11-17,19,22-23,28H,7-10,18,20-21H2,1-6H3/t22-,23+,28?/m1/s1
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2.70n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DADLE binding to rat brain membrane Opioid receptor delta 1


J Med Chem 43: 3193-6 (2000)


BindingDB Entry DOI: 10.7270/Q21835RR
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50091223
PNG
(4-[(4-Cyclopropylmethyl-2,5-dimethyl-piperazin-1-y...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1C[C@@H](C)N(CC2CC2)C[C@@H]1C)c1cccc(OC)c1
Show InChI InChI=1S/C29H41N3O2/c1-6-30(7-2)29(33)25-15-13-24(14-16-25)28(26-9-8-10-27(17-26)34-5)32-19-21(3)31(18-22(32)4)20-23-11-12-23/h8-10,13-17,21-23,28H,6-7,11-12,18-20H2,1-5H3/t21-,22+,28?/m1/s1
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3.5n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DADLE binding to rat brain membrane Opioid receptor delta 1


J Med Chem 43: 3193-6 (2000)


BindingDB Entry DOI: 10.7270/Q21835RR
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50091226
PNG
(CHEMBL323733 | N,N-Diethyl-4-[(3-methoxy-phenyl)-(...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1C[C@@H](C)N(C)C[C@@H]1C)c1cccc(OC)c1
Show InChI InChI=1S/C26H37N3O2/c1-7-28(8-2)26(30)22-14-12-21(13-15-22)25(23-10-9-11-24(16-23)31-6)29-18-19(3)27(5)17-20(29)4/h9-16,19-20,25H,7-8,17-18H2,1-6H3/t19-,20+,25?/m1/s1
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4.5n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DADLE binding to rat brain membrane Opioid receptor delta 1


J Med Chem 43: 3193-6 (2000)


BindingDB Entry DOI: 10.7270/Q21835RR
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50091225
PNG
(4-[(2,5-Dimethyl-4-pentyl-piperazin-1-yl)-(3-metho...)
Show SMILES CCCCCN1C[C@H](C)N(C[C@H]1C)C(c1ccc(cc1)C(=O)N(CC)CC)c1cccc(OC)c1
Show InChI InChI=1S/C30H45N3O2/c1-7-10-11-19-32-21-24(5)33(22-23(32)4)29(27-13-12-14-28(20-27)35-6)25-15-17-26(18-16-25)30(34)31(8-2)9-3/h12-18,20,23-24,29H,7-11,19,21-22H2,1-6H3/t23-,24+,29?/m1/s1
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4.70n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DADLE binding to rat brain membrane Opioid receptor delta 1


J Med Chem 43: 3193-6 (2000)


BindingDB Entry DOI: 10.7270/Q21835RR
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50091217
PNG
(4-[(2,5-Dimethyl-piperazin-1-yl)-(3-methoxy-phenyl...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1C[C@@H](C)NC[C@@H]1C)c1cccc(OC)c1
Show InChI InChI=1S/C25H35N3O2/c1-6-27(7-2)25(29)21-13-11-20(12-14-21)24(22-9-8-10-23(15-22)30-5)28-17-18(3)26-16-19(28)4/h8-15,18-19,24,26H,6-7,16-17H2,1-5H3/t18-,19+,24?/m1/s1
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4.70n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DADLE binding to rat brain membrane Opioid receptor delta 1


J Med Chem 43: 3193-6 (2000)


BindingDB Entry DOI: 10.7270/Q21835RR
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50091219
PNG
(4-[[2,5-Dimethyl-4-(2-methyl-allyl)-piperazin-1-yl...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1C[C@@H](C)N(CC(C)=C)C[C@@H]1C)c1cccc(OC)c1
Show InChI InChI=1S/C29H41N3O2/c1-8-30(9-2)29(33)25-15-13-24(14-16-25)28(26-11-10-12-27(17-26)34-7)32-20-22(5)31(18-21(3)4)19-23(32)6/h10-17,22-23,28H,3,8-9,18-20H2,1-2,4-7H3/t22-,23+,28?/m1/s1
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4.80n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DADLE binding to rat brain membrane Opioid receptor delta 1


J Med Chem 43: 3193-6 (2000)


BindingDB Entry DOI: 10.7270/Q21835RR
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50091222
PNG
(CHEMBL111389 | N,N-Diethyl-4-[(4-ethyl-2,5-dimethy...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1C[C@@H](C)N(CC)C[C@@H]1C)c1cccc(OC)c1
Show InChI InChI=1S/C27H39N3O2/c1-7-28(8-2)27(31)23-15-13-22(14-16-23)26(24-11-10-12-25(17-24)32-6)30-19-20(4)29(9-3)18-21(30)5/h10-17,20-21,26H,7-9,18-19H2,1-6H3/t20-,21+,26?/m1/s1
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5.20n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DADLE binding to rat brain membrane Opioid receptor delta 1


J Med Chem 43: 3193-6 (2000)


BindingDB Entry DOI: 10.7270/Q21835RR
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50091218
PNG
(4-[(4-Benzyl-2,5-dimethyl-piperazin-1-yl)-(3-metho...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1C[C@@H](C)N(Cc2ccccc2)C[C@@H]1C)c1cccc(OC)c1
Show InChI InChI=1S/C32H41N3O2/c1-6-33(7-2)32(36)28-18-16-27(17-19-28)31(29-14-11-15-30(20-29)37-5)35-22-24(3)34(21-25(35)4)23-26-12-9-8-10-13-26/h8-20,24-25,31H,6-7,21-23H2,1-5H3/t24-,25+,31?/m1/s1
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6.20n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DADLE binding to rat brain membrane Opioid receptor delta 1


J Med Chem 43: 3193-6 (2000)


BindingDB Entry DOI: 10.7270/Q21835RR
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50091216
PNG
(CHEMBL321927 | N,N-Diethyl-4-[(4-hexyl-2,5-dimethy...)
Show SMILES CCCCCCN1C[C@H](C)N(C[C@H]1C)C(c1ccc(cc1)C(=O)N(CC)CC)c1cccc(OC)c1
Show InChI InChI=1S/C31H47N3O2/c1-7-10-11-12-20-33-22-25(5)34(23-24(33)4)30(28-14-13-15-29(21-28)36-6)26-16-18-27(19-17-26)31(35)32(8-2)9-3/h13-19,21,24-25,30H,7-12,20,22-23H2,1-6H3/t24-,25+,30?/m1/s1
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10.4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DADLE binding to rat brain membrane Opioid receptor delta 1


J Med Chem 43: 3193-6 (2000)


BindingDB Entry DOI: 10.7270/Q21835RR
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50091220
PNG
(4-[[2,5-Dimethyl-4-(3-phenyl-propyl)-piperazin-1-y...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1C[C@@H](C)N(CCCc2ccccc2)C[C@@H]1C)c1cccc(OC)c1
Show InChI InChI=1S/C34H45N3O2/c1-6-35(7-2)34(38)30-20-18-29(19-21-30)33(31-16-11-17-32(23-31)39-5)37-25-26(3)36(24-27(37)4)22-12-15-28-13-9-8-10-14-28/h8-11,13-14,16-21,23,26-27,33H,6-7,12,15,22,24-25H2,1-5H3/t26-,27+,33?/m1/s1
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16.7n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DADLE binding to rat brain membrane Opioid receptor delta 1


J Med Chem 43: 3193-6 (2000)


BindingDB Entry DOI: 10.7270/Q21835RR
More data for this
Ligand-Target Pair
Delta-type opioid receptor


(Rattus norvegicus (rat))
BDBM50091215
PNG
(4-[(2,5-Dimethyl-4-phenethyl-piperazin-1-yl)-(3-me...)
Show SMILES CCN(CC)C(=O)c1ccc(cc1)C(N1C[C@@H](C)N(CCc2ccccc2)C[C@@H]1C)c1cccc(OC)c1
Show InChI InChI=1S/C33H43N3O2/c1-6-34(7-2)33(37)29-18-16-28(17-19-29)32(30-14-11-15-31(22-30)38-5)36-24-25(3)35(23-26(36)4)21-20-27-12-9-8-10-13-27/h8-19,22,25-26,32H,6-7,20-21,23-24H2,1-5H3/t25-,26+,32?/m1/s1
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30.6n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [3H]-DADLE binding to rat brain membrane Opioid receptor delta 1


J Med Chem 43: 3193-6 (2000)


BindingDB Entry DOI: 10.7270/Q21835RR
More data for this
Ligand-Target Pair